The British pop star, who was 31, died on October 16 after falling from the third floor of a hotel in Buenos Aires, Argentina.
Prosecutors said one person who accompanied him had been charged with the abandonment of a person following their death and the supply and facilitation of drugs.
A hotel employee and another person have also been charged. Nobody has been named.
The late singer had alcohol, cocaine, and a prescription antidepressant in his system before his death, Argentina’s National Criminal and Correctional Prosecutor’s Office also said.
The toxicology results indicated that Payne “may have fallen into a state of semi or total unconsciousness,” it said.
The prosecutor’s office also said medical examinations confirmed that the singer’s injuries were “compatible with those caused by falling from a height”.
Examinations ruled out self-inflicted injuries or the intervention of other people, the office added.
Initial investigations suggest that the musician was alone and experiencing a “breakdown” due to consumption of substances that have not yet been determined.
From X Factor hopeful to breakout star: Liam Payne’s life
His body remained in Argentina while authorities conducted further toxicology and laboratory tests but was then released to family.
Payne rose to fame as a member of One Direction, a boy band formed on the British television series The X Factor in 2010.